SCHEMBL31494755

SCHEMBL31494755

CCCCCCC(CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.54
KCNH2 Q12809 1/20 0.46
SIGMAR1 Q99720 7/20 0.46
CETP P11597 1/20 0.44
HTR2A P28223 1/20 0.44
CNR2 P34972 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22806767 0.93 CSNK1E (0.60) CSNK1ECNR2
SCHEMBL30903825 0.93 CSNK1E (0.60) CSNK1ECNR2
SCHEMBL29199074 0.93 CSNK1E (0.60) CSNK1ECNR2
SCHEMBL8094324 0.91 KCNH2 (0.50) CSNK1EKCNH2SIGMAR1CETPHTR2A
SCHEMBL8101264 0.91 KCNH2 (0.50) CSNK1EKCNH2SIGMAR1CETPHTR2A
SCHEMBL8086378 0.91 KCNH2 (0.50) CSNK1EKCNH2SIGMAR1CETPHTR2A
SCHEMBL28615324 0.91 KCNH2 (0.50) CSNK1EKCNH2SIGMAR1CETPHTR2A
SCHEMBL8098880 0.91 KCNH2 (0.50) CSNK1EKCNH2SIGMAR1CETPHTR2A
SCHEMBL8087311 0.91 KCNH2 (0.50) CSNK1EKCNH2SIGMAR1CETPHTR2A
SCHEMBL8094273 0.91 KCNH2 (0.50) CSNK1EKCNH2SIGMAR1CETPHTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119751186-A Synthesis method of beta, gamma unsaturated ketone compound 中国科学院兰州化学物理研究所 2025-04-04 CN disclosed